3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide

C20H19NO3 — CID 24949870

IUPAC3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C20H19NO3/c1-21-20(24)10-8-18-17-7-5-14(11-15(17)6-9-19(18)23)13-3-2-4-16(22)12-13/h2-7,9,11-12,22-23H,8,10H2,1H3,(H,21,24)
InChIKeyBMTWRITUQUFWRP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.60
Rot. Bonds4

About 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide

3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide (PubChem CID 24949870) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide
PubChem CID24949870
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1c(O)ccc2cc(-c3cccc(O)c3)ccc12
InChIInChI=1S/C20H19NO3/c1-21-20(24)10-8-18-17-7-5-14(11-15(17)6-9-19(18)23)13-3-2-4-16(22)12-13/h2-7,9,11-12,22-23H,8,10H2,1H3,(H,21,24)
InChIKeyBMTWRITUQUFWRP-UHFFFAOYSA-N
XLogP3.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide (CID 24949870) is 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide is CNC(=O)CCc1c(O)ccc2cc(-c3cccc(O)c3)ccc12.
What is the InChIKey of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide?
The InChIKey is BMTWRITUQUFWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-21-20(24)10-8-18-17-7-5-14(11-15(17)6-9-19(18)23)13-3-2-4-16(22)12-13/h2-7,9,11-12,22-23H,8,10H2,1H3,(H,21,24).
What are the key properties of 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide?
3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide has a molecular weight of 321.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-N-methylpropanamide is sourced from PubChem (CID 24949870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).